Cantera  2.4.0
Domain1D Class Reference

Base class for one-dimensional domains. More...

#include <Domain1D.h>

Inheritance diagram for Domain1D:
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## Public Member Functions

Domain1D (size_t nv=1, size_t points=1, double time=0.0)
Constructor. More...

Domain1D (const Domain1D &)=delete

Domain1Doperator= (const Domain1D &)=delete

int domainType ()
Domain type flag. More...

size_t domainIndex ()
The left-to-right location of this domain. More...

bool isConnector ()
True if the domain is a connector domain. More...

const OneDimcontainer () const
The container holding this domain. More...

void setContainer (OneDim *c, size_t index)
Specify the container object for this domain, and the position of this domain in the list. More...

void setBandwidth (int bw=-1)
Set the Jacobian bandwidth. See the discussion of method bandwidth(). More...

size_t bandwidth ()
Set the Jacobian bandwidth for this domain. More...

virtual void init ()

virtual void setInitialState (doublereal *xlocal=0)

virtual void setState (size_t point, const doublereal *state, doublereal *x)

virtual void resetBadValues (double *xg)

virtual void resize (size_t nv, size_t np)

Refinerrefiner ()
Return a reference to the grid refiner. More...

size_t nComponents () const
Number of components at each grid point. More...

void checkComponentIndex (size_t n) const
Check that the specified component index is in range. More...

void checkComponentArraySize (size_t nn) const
Check that an array size is at least nComponents(). More...

size_t nPoints () const
Number of grid points in this domain. More...

void checkPointIndex (size_t n) const
Check that the specified point index is in range. More...

void checkPointArraySize (size_t nn) const
Check that an array size is at least nPoints(). More...

virtual std::string componentName (size_t n) const
Name of the nth component. May be overloaded. More...

void setComponentName (size_t n, const std::string &name)

size_t componentIndex (const std::string &name) const
index of component with name name. More...

void setBounds (size_t n, doublereal lower, doublereal upper)

void setTransientTolerances (doublereal rtol, doublereal atol, size_t n=npos)
Set tolerances for time-stepping mode. More...

void setSteadyTolerances (doublereal rtol, doublereal atol, size_t n=npos)
Set tolerances for steady-state mode. More...

doublereal rtol (size_t n)
Relative tolerance of the nth component. More...

doublereal atol (size_t n)
Absolute tolerance of the nth component. More...

double steady_rtol (size_t n)
Steady relative tolerance of the nth component. More...

double steady_atol (size_t n)
Steady absolute tolerance of the nth component. More...

double transient_rtol (size_t n)
Transient relative tolerance of the nth component. More...

double transient_atol (size_t n)
Transient absolute tolerance of the nth component. More...

doublereal upperBound (size_t n) const
Upper bound on the nth component. More...

doublereal lowerBound (size_t n) const
Lower bound on the nth component. More...

void initTimeInteg (doublereal dt, const doublereal *x0)
Prepare to do time stepping with time step dt. More...

void setSteadyMode ()
Prepare to solve the steady-state problem. More...

bool steady ()
True if in steady-state mode. More...

bool transient ()
True if not in steady-state mode. More...

void needJacUpdate ()

virtual void eval (size_t j, doublereal *x, doublereal *r, integer *mask, doublereal rdt=0.0)
Evaluate the residual function at point j. More...

size_t index (size_t n, size_t j) const

doublereal value (const doublereal *x, size_t n, size_t j) const

virtual void setJac (MultiJac *jac)

virtual XML_Nodesave (XML_Node &o, const doublereal *const sol)
Save the current solution for this domain into an XML_Node. More...

virtual void restore (const XML_Node &dom, doublereal *soln, int loglevel)
Restore the solution for this domain from an XML_Node. More...

size_t size () const

void locate ()
Find the index of the first grid point in this domain, and the start of its variables in the global solution vector. More...

virtual size_t loc (size_t j=0) const
Location of the start of the local solution vector in the global solution vector,. More...

size_t firstPoint () const
The index of the first (i.e., left-most) grid point belonging to this domain. More...

size_t lastPoint () const
The index of the last (i.e., right-most) grid point belonging to this domain. More...

void linkLeft (Domain1D *left)
Set the left neighbor to domain 'left. More...

void linkRight (Domain1D *right)
Set the right neighbor to domain 'right.'. More...

void append (Domain1D *right)
Append domain 'right' to this one, and update all links. More...

Domain1Dleft () const
Return a pointer to the left neighbor. More...

Domain1Dright () const
Return a pointer to the right neighbor. More...

double prevSoln (size_t n, size_t j) const
Value of component n at point j in the previous solution. More...

void setID (const std::string &s)
Specify an identifying tag for this domain. More...

std::string id () const

virtual void showSolution_s (std::ostream &s, const doublereal *x)

virtual void showSolution (const doublereal *x)
Print the solution. More...

doublereal z (size_t jlocal) const

doublereal zmin () const

doublereal zmax () const

void setProfile (const std::string &name, double *values, double *soln)

vector_fpgrid ()

const vector_fpgrid () const

doublereal grid (size_t point) const

virtual void setupGrid (size_t n, const doublereal *z)
called to set up initial grid, and after grid refinement More...

virtual void _getInitialSoln (doublereal *x)
Writes some or all initial solution values into the global solution array, beginning at the location pointed to by x. More...

virtual doublereal initialValue (size_t n, size_t j)
Initial value of solution component n at grid point j. More...

virtual void _finalize (const doublereal *x)
In some cases, a domain may need to set parameters that depend on the initial solution estimate. More...

void forceFullUpdate (bool update)
In some cases, for computational efficiency some properties (e.g. More...

## Protected Attributes

doublereal m_rdt

size_t m_nv

size_t m_points

vector_fp m_slast

vector_fp m_max

vector_fp m_min

vector_fp m_rtol_ss

vector_fp m_rtol_ts

vector_fp m_atol_ss

vector_fp m_atol_ts

vector_fp m_z

OneDimm_container

size_t m_index

int m_type

size_t m_iloc
Starting location within the solution vector for unknowns that correspond to this domain. More...

size_t m_jstart

Domain1Dm_left

Domain1Dm_right

std::string m_id
Identity tag for the domain. More...

std::string m_desc

std::unique_ptr< Refinerm_refiner

std::vector< std::string > m_name

int m_bw

bool m_force_full_update

## Detailed Description

Base class for one-dimensional domains.

Definition at line 38 of file Domain1D.h.

## ◆ Domain1D()

 Domain1D ( size_t nv = 1, size_t points = 1, double time = 0.0 )

Constructor.

Parameters
 nv Number of variables at each grid point. points Number of grid points. time (unused)

Definition at line 17 of file Domain1D.cpp.

## ◆ domainType()

 int domainType ( )
inline

Domain type flag.

Definition at line 54 of file Domain1D.h.

## ◆ domainIndex()

 size_t domainIndex ( )
inline

The left-to-right location of this domain.

Definition at line 59 of file Domain1D.h.

## ◆ isConnector()

 bool isConnector ( )
inline

True if the domain is a connector domain.

Definition at line 64 of file Domain1D.h.

## ◆ container()

 const OneDim& container ( ) const
inline

The container holding this domain.

Definition at line 69 of file Domain1D.h.

## ◆ setContainer()

 void setContainer ( OneDim * c, size_t index )
inline

Specify the container object for this domain, and the position of this domain in the list.

Definition at line 75 of file Domain1D.h.

Referenced by OneDim::addDomain().

## ◆ setBandwidth()

 void setBandwidth ( int bw = -1 )
inline

Set the Jacobian bandwidth. See the discussion of method bandwidth().

Definition at line 81 of file Domain1D.h.

## ◆ bandwidth()

 size_t bandwidth ( )
inline

Set the Jacobian bandwidth for this domain.

When class OneDim computes the bandwidth of the overall multi-domain problem (in OneDim::resize()), it calls this method for the bandwidth of each domain. If setBandwidth has not been called, then a negative bandwidth is returned, in which case OneDim assumes that this domain is dense – that is, at each point, all components depend on the value of all other components at that point. In this case, the bandwidth is bw = 2*nComponents() - 1. However, if this domain contains some components that are uncoupled from other components at the same point, then this default bandwidth may greatly overestimate the true bandwidth, with a substantial penalty in performance. For such domains, use method setBandwidth to specify the bandwidth before passing this domain to the Sim1D or OneDim constructor.

Definition at line 100 of file Domain1D.h.

Referenced by OneDim::resize().

## ◆ init()

 virtual void init ( )
inlinevirtual

Initialize. This method is called by OneDim::init() for each domain once at the beginning of a simulation. Base class method does nothing, but may be overloaded.

Reimplemented in ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, Inlet1D, and Bdry1D.

Definition at line 109 of file Domain1D.h.

Referenced by OneDim::init().

## ◆ resetBadValues()

 virtual void resetBadValues ( double * xg )
inlinevirtual

When called, this function should reset "bad" values in the state vector such as negative species concentrations. This function may be called after a failed solution attempt.

Reimplemented in ReactingSurf1D, and StFlow.

Definition at line 119 of file Domain1D.h.

## ◆ resize()

 void resize ( size_t nv, size_t np )
virtual

Resize the domain to have nv components and np grid points. This method is virtual so that subclasses can perform other actions required to resize the domain.

Reimplemented in StFlow, and IonFlow.

Definition at line 33 of file Domain1D.cpp.

References Domain1D::locate().

## ◆ refiner()

 Refiner& refiner ( )
inline

Return a reference to the grid refiner.

Definition at line 129 of file Domain1D.h.

## ◆ nComponents()

 size_t nComponents ( ) const
inline

Number of components at each grid point.

Definition at line 134 of file Domain1D.h.

## ◆ checkComponentIndex()

 void checkComponentIndex ( size_t n ) const
inline

Check that the specified component index is in range.

Throws an exception if n is greater than nComponents()-1

Definition at line 140 of file Domain1D.h.

## ◆ checkComponentArraySize()

 void checkComponentArraySize ( size_t nn ) const
inline

Check that an array size is at least nComponents().

Throws an exception if nn is less than nComponents(). Used before calls which take an array pointer.

Definition at line 149 of file Domain1D.h.

## ◆ nPoints()

 size_t nPoints ( ) const
inline

Number of grid points in this domain.

Definition at line 156 of file Domain1D.h.

## ◆ checkPointIndex()

 void checkPointIndex ( size_t n ) const
inline

Check that the specified point index is in range.

Throws an exception if n is greater than nPoints()-1

Definition at line 162 of file Domain1D.h.

## ◆ checkPointArraySize()

 void checkPointArraySize ( size_t nn ) const
inline

Check that an array size is at least nPoints().

Throws an exception if nn is less than nPoints(). Used before calls which take an array pointer.

Definition at line 171 of file Domain1D.h.

## ◆ componentName()

 std::string componentName ( size_t n ) const
virtual

Name of the nth component. May be overloaded.

Reimplemented in ReactingSurf1D, and StFlow.

Definition at line 56 of file Domain1D.cpp.

## ◆ componentIndex()

 size_t componentIndex ( const std::string & name ) const

index of component with name name.

Definition at line 65 of file Domain1D.cpp.

References Domain1D::componentName(), and Domain1D::nComponents().

## ◆ setTransientTolerances()

 void setTransientTolerances ( doublereal rtol, doublereal atol, size_t n = npos )

Set tolerances for time-stepping mode.

Parameters
 rtol Relative tolerance atol Absolute tolerance n component index these tolerances apply to. If set to -1 (the default), these tolerances will be applied to all solution components.

Definition at line 76 of file Domain1D.cpp.

References Domain1D::atol(), Cantera::npos, and Domain1D::rtol().

## ◆ setSteadyTolerances()

 void setSteadyTolerances ( doublereal rtol, doublereal atol, size_t n = npos )

Set tolerances for steady-state mode.

Parameters
 rtol Relative tolerance atol Absolute tolerance n component index these tolerances apply to. If set to -1 (the default), these tolerances will be applied to all solution components.

Definition at line 89 of file Domain1D.cpp.

References Domain1D::atol(), Cantera::npos, and Domain1D::rtol().

## ◆ rtol()

 doublereal rtol ( size_t n )
inline

Relative tolerance of the nth component.

Definition at line 213 of file Domain1D.h.

Referenced by Domain1D::setSteadyTolerances(), and Domain1D::setTransientTolerances().

## ◆ atol()

 doublereal atol ( size_t n )
inline

Absolute tolerance of the nth component.

Definition at line 218 of file Domain1D.h.

Referenced by Domain1D::setSteadyTolerances(), and Domain1D::setTransientTolerances().

## ◆ steady_rtol()

 double steady_rtol ( size_t n )
inline

Steady relative tolerance of the nth component.

Definition at line 223 of file Domain1D.h.

## ◆ steady_atol()

 double steady_atol ( size_t n )
inline

Steady absolute tolerance of the nth component.

Definition at line 228 of file Domain1D.h.

## ◆ transient_rtol()

 double transient_rtol ( size_t n )
inline

Transient relative tolerance of the nth component.

Definition at line 233 of file Domain1D.h.

## ◆ transient_atol()

 double transient_atol ( size_t n )
inline

Transient absolute tolerance of the nth component.

Definition at line 238 of file Domain1D.h.

## ◆ upperBound()

 doublereal upperBound ( size_t n ) const
inline

Upper bound on the nth component.

Definition at line 243 of file Domain1D.h.

## ◆ lowerBound()

 doublereal lowerBound ( size_t n ) const
inline

Lower bound on the nth component.

Definition at line 248 of file Domain1D.h.

## ◆ initTimeInteg()

 void initTimeInteg ( doublereal dt, const doublereal * x0 )
inline

Prepare to do time stepping with time step dt.

Copy the internally-stored solution at the last time step to array x0.

Definition at line 256 of file Domain1D.h.

References Domain1D::loc().

Referenced by OneDim::initTimeInteg().

## ◆ setSteadyMode()

 void setSteadyMode ( )
inline

Prepare to solve the steady-state problem.

Set the internally-stored reciprocal of the time step to 0.0

Definition at line 265 of file Domain1D.h.

Referenced by OneDim::setSteadyMode().

## ◆ steady()

 bool steady ( )
inline

True if in steady-state mode.

Definition at line 270 of file Domain1D.h.

## ◆ transient()

 bool transient ( )
inline

True if not in steady-state mode.

Definition at line 275 of file Domain1D.h.

## ◆ needJacUpdate()

 void needJacUpdate ( )

Set this if something has changed in the governing equations (e.g. the value of a constant has been changed, so that the last-computed Jacobian is no longer valid.

Definition at line 102 of file Domain1D.cpp.

References OneDim::jacobian(), OneDim::saveStats(), and MultiJac::setAge().

## ◆ eval()

 virtual void eval ( size_t j, doublereal * x, doublereal * r, integer * mask, doublereal rdt = 0.0 )
inlinevirtual

Evaluate the residual function at point j.

If j == npos, evaluate the residual function at all points.

This function must be implemented in classes derived from Domain1D.

Parameters
 j Grid point at which to update the residual [in] x State vector [out] r residual vector [out] mask Boolean mask indicating whether each solution component has a time derivative (1) or not (0). [in] rdt Reciprocal of the timestep (rdt=0 implies steady- state.)

Reimplemented in ReactingSurf1D, Surf1D, StFlow, OutletRes1D, Outlet1D, Symm1D, Empty1D, and Inlet1D.

Definition at line 299 of file Domain1D.h.

## ◆ save()

 XML_Node & save ( XML_Node & o, const doublereal *const sol )
virtual

Save the current solution for this domain into an XML_Node.

Base class version of the general domain1D save function. Derived classes should call the base class method in addition to saving their own data.

Parameters
 o XML_Node to save the solution to. sol Current value of the solution vector. The object will pick out which part of the solution vector pertains to this object.
Returns
XML_Node created to represent this domain

Reimplemented in ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, StFlow, and Inlet1D.

Definition at line 110 of file Domain1D.cpp.

Referenced by StFlow::save(), Outlet1D::save(), OutletRes1D::save(), Surf1D::save(), and ReactingSurf1D::save().

## ◆ restore()

 void restore ( const XML_Node & dom, doublereal * soln, int loglevel )
virtual

Restore the solution for this domain from an XML_Node.

Base class version of the general Domain1D restore function. Derived classes should call the base class method in addition to restoring their own data.

Parameters
 dom XML_Node for this domain soln Current value of the solution vector, local to this object. loglevel 0 to suppress all output; 1 to show warnings; 2 for verbose output

Reimplemented in ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, StFlow, and Inlet1D.

Definition at line 123 of file Domain1D.cpp.

## ◆ locate()

 void locate ( )

Find the index of the first grid point in this domain, and the start of its variables in the global solution vector.

Definition at line 164 of file Domain1D.cpp.

References Domain1D::lastPoint(), Domain1D::loc(), Domain1D::locate(), and Domain1D::m_iloc.

Referenced by Domain1D::linkLeft(), Domain1D::locate(), and Domain1D::resize().

## ◆ loc()

 virtual size_t loc ( size_t j = 0 ) const
inlinevirtual

Location of the start of the local solution vector in the global solution vector,.

Definition at line 353 of file Domain1D.h.

References Domain1D::m_iloc.

## ◆ firstPoint()

 size_t firstPoint ( ) const
inline

The index of the first (i.e., left-most) grid point belonging to this domain.

Definition at line 361 of file Domain1D.h.

Referenced by Outlet1D::eval(), OutletRes1D::eval(), StFlow::eval(), Surf1D::eval(), and ReactingSurf1D::eval().

## ◆ lastPoint()

 size_t lastPoint ( ) const
inline

The index of the last (i.e., right-most) grid point belonging to this domain.

Definition at line 369 of file Domain1D.h.

## ◆ linkLeft()

 void linkLeft ( Domain1D * left )
inline

Set the left neighbor to domain 'left.

' Method 'locate' is called to update the global positions of this domain and all those to its right.

Definition at line 377 of file Domain1D.h.

References Domain1D::left(), and Domain1D::locate().

Referenced by Domain1D::append().

## ◆ linkRight()

 void linkRight ( Domain1D * right )
inline

Set the right neighbor to domain 'right.'.

Definition at line 383 of file Domain1D.h.

References Domain1D::right().

Referenced by Domain1D::append().

## ◆ append()

 void append ( Domain1D * right )
inline

Append domain 'right' to this one, and update all links.

Definition at line 388 of file Domain1D.h.

References Domain1D::linkLeft(), Domain1D::linkRight(), and Domain1D::right().

## ◆ left()

 Domain1D* left ( ) const
inline

Return a pointer to the left neighbor.

Definition at line 394 of file Domain1D.h.

Referenced by Domain1D::linkLeft(), and OneDim::pointDomain().

## ◆ right()

 Domain1D* right ( ) const
inline

Return a pointer to the right neighbor.

Definition at line 399 of file Domain1D.h.

## ◆ prevSoln()

 double prevSoln ( size_t n, size_t j ) const
inline

Value of component n at point j in the previous solution.

Definition at line 404 of file Domain1D.h.

Referenced by ReactingSurf1D::eval().

## ◆ setID()

 void setID ( const std::string & s )
inline

Specify an identifying tag for this domain.

Definition at line 409 of file Domain1D.h.

References Domain1D::m_id.

## ◆ showSolution()

 void showSolution ( const doublereal * x )
virtual

Print the solution.

Reimplemented in ReactingSurf1D, Surf1D, OutletRes1D, Empty1D, StFlow, and Inlet1D.

Definition at line 194 of file Domain1D.cpp.

References Domain1D::componentName(), and Cantera::writelog().

Referenced by StFlow::showSolution().

## ◆ setupGrid()

 void setupGrid ( size_t n, const doublereal * z )
virtual

called to set up initial grid, and after grid refinement

Reimplemented in Bdry1D, and StFlow.

Definition at line 184 of file Domain1D.cpp.

References Domain1D::resize().

Referenced by Sim1D::refine(), Sim1D::restoreSteadySolution(), and Sim1D::setFixedTemperature().

## ◆ _getInitialSoln()

 void _getInitialSoln ( doublereal * x )
virtual

Writes some or all initial solution values into the global solution array, beginning at the location pointed to by x.

This method is called by the Sim1D constructor, and allows default values or ones that have been set locally prior to installing this domain into the container to be written to the global solution vector.

Reimplemented in ReactingSurf1D, and StFlow.

Definition at line 243 of file Domain1D.cpp.

References Domain1D::initialValue().

Referenced by Sim1D::Sim1D().

## ◆ initialValue()

 doublereal initialValue ( size_t n, size_t j )
virtual

Initial value of solution component n at grid point j.

Definition at line 252 of file Domain1D.cpp.

Referenced by Domain1D::_getInitialSoln().

## ◆ _finalize()

 virtual void _finalize ( const doublereal * x )
inlinevirtual

In some cases, a domain may need to set parameters that depend on the initial solution estimate.

In such cases, the parameters may be set in method _finalize. This method is called just before the Newton solver is called, and the x array is guaranteed to be the local solution vector for this domain that will be used as the initial guess. If no such parameters need to be set, then method _finalize does not need to be overloaded.

Reimplemented in ReactingSurf1D, StFlow, and IonFlow.

Definition at line 471 of file Domain1D.h.

Referenced by Sim1D::finalize().

## ◆ forceFullUpdate()

 void forceFullUpdate ( bool update )
inline

In some cases, for computational efficiency some properties (e.g.

transport coefficients) may not be updated during Jacobian evaluations. Set this to true to force these properties to be udpated even while calculating Jacobian elements.

Definition at line 479 of file Domain1D.h.

## ◆ m_iloc

 size_t m_iloc
protected

Starting location within the solution vector for unknowns that correspond to this domain.

Remember there may be multiple domains associated with this problem

Definition at line 502 of file Domain1D.h.

Referenced by Domain1D::loc(), and Domain1D::locate().

## ◆ m_id

 std::string m_id
protected

Identity tag for the domain.

Definition at line 509 of file Domain1D.h.

Referenced by Domain1D::setID().

The documentation for this class was generated from the following files: